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(S)-(+)-4-HEPTYL-1-(2-HYDROXYPROPYL)-1H-1,2,4-TRIAZOL-4-IUM-IODIDE
SpectraBase Compound ID Cf97iNxP44s
InChI InChI=1S/C12H24N3O.HI/c1-3-4-5-6-7-8-14-10-13-15(11-14)9-12(2)16;/h10-12,16H,3-9H2,1-2H3;1H/q+1;/p-1/t12-;/m0./s1
InChIKey LJTDTKJOEIDQRK-YDALLXLXSA-M
Mol Weight 353.25 g/mol
Molecular Formula C12H24IN3O
Exact Mass 353.096407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnaRbqKdZpV
Name (S)-(+)-4-HEPTYL-1-(2-HYDROXYPROPYL)-1H-1,2,4-TRIAZOL-4-IUM-IODIDE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24IN3O
InChI InChI=1S/C12H24N3O.HI/c1-3-4-5-6-7-8-14-10-13-15(11-14)9-12(2)16;/h10-12,16H,3-9H2,1-2H3;1H/q+1;/p-1/t12-;/m0./s1
InChIKey LJTDTKJOEIDQRK-YDALLXLXSA-M
Literature Reference Author P.BOROWIECKI,M.MILNER-KRAWCZYK,J.PLENKIEWICZ
Literature Reference Citation BEIL.J.ORG.CHEM.,9,516(2013)
Literature Reference DOI 10.3762/bjoc.9.56
Molecular Weight 353.247 g/mol
Solvent CDCl3
Source File Reference UWLU77055